SCHEMBL902134

SCHEMBL902134

Brc1ccccc1CNC1CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.56
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
RAB9A P51151 1/20 0.46
LMNA P02545 3/20 0.44
SLC6A4 P31645 2/20 0.44
GBA1 P04062 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CNR1 P21554 1/20 0.44
TBXA2R P21731 1/20 0.44
HRH2 P25021 1/20 0.44
KCNH2 Q12809 1/20 0.44
HIF1A Q16665 1/20 0.44
TSHR P16473 2/20 0.43
CYP3A4 P08684 1/20 0.43
ALOX15 P16050 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
BCHE P06276 1/20 0.42
ACHE P22303 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Formic Acid SCHEMBL5072993 0.90 KDM1A (0.48) KDM1AKMT2AMEN1RAB9ALMNA
SCHEMBL70402 0.88 SLC6A2 (0.52) KDM1AKMT2AMEN1RAB9ALMNA
Hydrochloric Acid SCHEMBL70913 0.86 SLC6A2 (0.51) KDM1AKMT2AMEN1RAB9ALMNA
SCHEMBL11648488 0.77 LMNA (0.52) KDM1AKMT2ALMNASLC6A4GBA1
SCHEMBL11648492 0.77 LMNA (0.52) KDM1AKMT2ALMNASLC6A4GBA1
SCHEMBL16334969 0.76 KDM1A (0.56) KDM1AKMT2AMEN1RAB9ALMNA
SCHEMBL696339 0.76 KDM1A (0.56) KDM1AKMT2AMEN1RAB9ALMNA
SCHEMBL696162 0.76 MEN1 (0.58) KDM1AKMT2AMEN1RAB9ACYP2D6
SCHEMBL2466537 0.76 ACHE (0.47) KMT2AMEN1RAB9ALMNABCHE
SCHEMBL3743650 0.76 KMT2A (0.46) KMT2AMEN1RAB9ALMNASLC6A4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 57 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1501830-B1 7-ARYL-3,9-DIAZABICYCLO[3.3.1]NON-6-ENE DERIVATIVES AND THEIR USE AS RENIN INHIBITORS IN THE TREATMENT OF HYPERTENSION, CARDIOVASCULAR OR RENAL DISEASES ACTELION PHARMACEUTICALS LTD (CH) 2011-10-05 EP claimed
US-20080312242-A1 7-ARYL-3, 9-DIAZABICYCLO(3.3.1)NON-6-ENE DERIVATIVES AND THEIR USE AS RENIN INHIBITORS IN THE TREATMENT OF HYPERTENSION, CARDIOVASCULAR OR RENAL DISEASES ACTELION PHARMACEUTICALS, LTD. (CH) 2008-12-18 US claimed
US-7427613-B2 7-aryl-3,9-diazabicyclo(3.3.1)non-6-ene derivatives and their use as renin inhibitors in the treatment of hypertension, cardiovascular or renal diseases ACTELION PHARMACEUTICALS LTD. (CH) 2008-09-23 US claimed
EP-1620403-B1 NOVEL 3,4-DISUBSTITUTED 1,2,3,6-TETRAHYDROPYRIDINE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2007-11-28 EP claimed
US-20060235056-A1 Novel 3,4-disubstituted 1,2,3,6-tetrahydropyridine derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2006-10-19 US claimed
EP-1620403-A1 NOVEL 3,4-DISUBSTITUTED 1,2,3,6-TETRAHYDROPYRIDINE DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2006-02-01 EP claimed
US-20060009497-A1 Novel tetrahydropyridine derivatives as renin inhibitors ACTELION PHARMACEUTICALS, LTD. (CH) 2006-01-12 US claimed
US-20050176700-A1 7-aryl-3,9-diazabicyclo(3.3.1)non-6-ene derivatives and their use as renin inhibitors in the treatment of hypertension,cardiovascular or renal diseases ACTELION PHARMACEUTICALS LTD. (CH) 2005-08-11 US claimed
CN-1649870-A 7-aryl-3,9-diazabicyclo(3.3.1)non-6-ene derivatives and their use as renin inhibitors in the treatment of hypertension, cardiovascular or renal diseases ACTELION PHARMACEUTICALS LTD (CH) 2005-08-03 CN claimed
EP-1519920-A1 NOVEL TETRAHYDROPYRIDINE DERIVATIVES AS RENIN INHIBITORS Actelion Pharmaceuticals Ltd. (CH) 2005-04-06 EP claimed
EP-1501830-A1 7-ARYL-3,9-DIAZABICYCLO[3.3.1]NON-6-ENE DERIVATIVES AND THEIR USE AS RENIN INHIBITORS IN THE TREATMENT OF HYPERTENSION, CARDIOVASCULAR OR RENAL DISEASES Actelion Pharmaceuticals Ltd. (CH) 2005-02-02 EP claimed
WO-2004096769-A1 NOVEL 3,4-DISUBSTITUTED 1,2,3,6-TETRAHYDROPYRIDINE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2004-11-11 WO claimed
WO-2004002957-A1 NOVEL TETRAHYDROPYRIDINE DERIVATIVES AS RENIN INHIBITORS ACTELION PHARMACEUTICALS LTD (CH) 2004-01-08 WO claimed
WO-2003093267-A1 7-ARYL-3,9-DIAZABICYCLO(3.3.1)NON-6-ENE DERIVATIVES AND THEIR USE AS RENIN INHIBITORS IN THE TREATMENT OF HYPERTENSION, CARDIOVASCULAR OR RENAL DISEASES ACTELION PHARMACEUTICALS LTD (CH) 2003-11-13 WO claimed
EP-2274295-B1 3, 4 - SUBSTITUTED PIPERIDINE DERIVATIVES AS RENIN INHIBITORS ACTELION PHARMACEUTICALS LTD (CH) 2015-08-05 EP disclosed
EP-2274295-B1 3, 4 - SUBSTITUTED PIPERIDINE DERIVATIVES AS RENIN INHIBITORS ACTELION PHARMACEUTICALS LTD (CH) 2015-08-05 EP disclosed
US-8889714-B2 3,4-substituted piperidine derivatives as renin inhibitors ACTELION PHARMACEUTICALS LTD. (CH) 2014-11-18 US disclosed
WO-2004096769-A1 NOVEL 3,4-DISUBSTITUTED 1,2,3,6-TETRAHYDROPYRIDINE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2004-11-11 WO disclosed
WO-2004002957-A1 NOVEL TETRAHYDROPYRIDINE DERIVATIVES AS RENIN INHIBITORS ACTELION PHARMACEUTICALS LTD (CH) 2004-01-08 WO disclosed
WO-2003093267-A1 7-ARYL-3,9-DIAZABICYCLO(3.3.1)NON-6-ENE DERIVATIVES AND THEIR USE AS RENIN INHIBITORS IN THE TREATMENT OF HYPERTENSION, CARDIOVASCULAR OR RENAL DISEASES ACTELION PHARMACEUTICALS LTD (CH) 2003-11-13 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050176700-A1 7-aryl-3,9-diazabicyclo(3.3.1)non-6-ene derivatives and their use as renin inhibitors in the treatment of hypertension,cardiovascular or renal diseases REN, AGTR1, ACE KDM1A 1409/4885KMT2A 4221/4885MEN1 2389/4885
US-20080312242-A1 7-ARYL-3, 9-DIAZABICYCLO(3.3.1)NON-6-ENE DERIVATIVES AND THEIR USE AS RENIN INHIBITORS IN THE TREATMENT OF HYPERTENSION, CARDIOVASCULAR OR RENAL DISEASES REN, AGTR1, ACE KDM1A 1409/4885KMT2A 4221/4885MEN1 2389/4885
US-20060009497-A1 Novel tetrahydropyridine derivatives as renin inhibitors REN, ACE, ACE2 KDM1A 2689/4885KMT2A 3384/4885MEN1 2862/4885
US-20060235056-A1 Novel 3,4-disubstituted 1,2,3,6-tetrahydropyridine derivatives REN, ACE, ACE2 KDM1A 1996/4885KMT2A 3732/4885MEN1 2521/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.